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2-Cyano-2-methoxy-1-p-toluenesulfonylpropane
SpectraBase Compound ID 4EBJGkkrThH
InChI InChI=1S/C12H15NO3S/c1-10-4-6-11(7-5-10)17(14,15)9-12(2,8-13)16-3/h4-7H,9H2,1-3H3
InChIKey BZRMKNVPPDSINY-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14UObUjx8z7
Name 2-Cyano-2-methoxy-1-p-toluenesulfonylpropane
Alternate Name(s) 2-Methoxy-2-methyl-3-[(4-methylphenyl)sulfonyl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c1-10-4-6-11(7-5-10)17(14,15)9-12(2,8-13)16-3/h4-7H,9H2,1-3H3
InChIKey BZRMKNVPPDSINY-UHFFFAOYSA-N
Molecular Weight 253.316 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C#N)(OC)C
SPLASH splash10-0f6x-9050000000-2e5422c68343719548a0
Source of Spectrum F-48-2623-12
Wiley ID 1256639